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whitespace fixes

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This commit is contained in:
Axel Kohlmeyer
2020-07-10 18:22:11 -04:00
parent a5a1706f82
commit 64dad33c12
2 changed files with 17 additions and 17 deletions
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2
doc/src/Howto_body.rst
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@ -400,7 +400,7 @@ by circles of diameter 0.5, is specified as follows:
.. parsed-literal:: .. parsed-literal::
1 3 13 1 3 13
2 0 0 2 0 0
0 1.33333 1.33333 0 0 0 0 1.33333 1.33333 0 0 0
-2 0 0 -2 0 0
2 0 0 2 0 0

32
src/BODY/body_rounded_polyhedron.cpp
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@ -188,7 +188,7 @@ int BodyRoundedPolyhedron::unpack_border_body(AtomVecBody::Bonus *bonus, double
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble, void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
int *ifile, double *dfile) int *ifile, double *dfile)
{ {
AtomVecBody::Bonus *bonus = &avec->bonus[ibonus]; AtomVecBody::Bonus *bonus = &avec->bonus[ibonus];
@ -217,10 +217,10 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
nedges = ned; //nsub + nfac - 2; nedges = ned; //nsub + nfac - 2;
nentries = 6 + 3*nsub + 2*nedges + MAX_FACE_SIZE*nfac + 1; nentries = 6 + 3*nsub + 2*nedges + MAX_FACE_SIZE*nfac + 1;
} }
if (ndouble != nentries) if (ndouble != nentries)
error->one(FLERR,"Incorrect # of floating-point values in " error->one(FLERR,"Incorrect # of floating-point values in "
"Bodies section of data file"); "Bodies section of data file");
bonus->ninteger = 3; bonus->ninteger = 3;
bonus->ivalue = icp->get(bonus->iindex); bonus->ivalue = icp->get(bonus->iindex);
@ -340,7 +340,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
atom->radius[bonus->ilocal] = erad + rrad; atom->radius[bonus->ilocal] = erad + rrad;
// polyhedra have Nedges and Nfaces // polyhedra have Nedges and Nfaces
} else { } else {
// edges // edges
@ -356,7 +356,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
for (i = 0; i < nfac; i++) { for (i = 0; i < nfac; i++) {
for (m = 0; m < MAX_FACE_SIZE; m++) for (m = 0; m < MAX_FACE_SIZE; m++)
bonus->dvalue[k+m] = dfile[j+m]; bonus->dvalue[k+m] = dfile[j+m];
k += MAX_FACE_SIZE; k += MAX_FACE_SIZE;
j += MAX_FACE_SIZE; j += MAX_FACE_SIZE;
} }
@ -439,14 +439,14 @@ int BodyRoundedPolyhedron::pack_data_body(tagint atomID, int ibonus, double *buf
if (nsub < 3) j += 2; if (nsub < 3) j += 2;
else { else {
for (i = 0; i < nedge; i++) { for (i = 0; i < nedge; i++) {
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
} }
for (i = 0; i < nface; i++) { for (i = 0; i < nface; i++) {
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
buf[m++] = static_cast<int> (dvalue[j++]); buf[m++] = static_cast<int> (dvalue[j++]);
} }
} }
@ -454,7 +454,7 @@ int BodyRoundedPolyhedron::pack_data_body(tagint atomID, int ibonus, double *buf
// j+1 to skip enclosing radius // j+1 to skip enclosing radius
buf[m++] = 2.0 * dvalue[j+1]; buf[m++] = 2.0 * dvalue[j+1];
} else { } else {
m = 3 + 3 + 6 + 3*nsub + 1; m = 3 + 3 + 6 + 3*nsub + 1;
if (nsub > 2) m += 2*nedge + MAX_FACE_SIZE*nface; if (nsub > 2) m += 2*nedge + MAX_FACE_SIZE*nface;
@ -477,7 +477,7 @@ int BodyRoundedPolyhedron::write_data_body(FILE *fp, double *buf)
m += 3; m += 3;
// nvert, nedge, nface // nvert, nedge, nface
const int nsub = (int) ubuf(buf[m++]).i; const int nsub = (int) ubuf(buf[m++]).i;
const int nedge = (int) ubuf(buf[m++]).i; const int nedge = (int) ubuf(buf[m++]).i;
const int nface = (int) ubuf(buf[m++]).i; const int nface = (int) ubuf(buf[m++]).i;
@ -502,12 +502,12 @@ int BodyRoundedPolyhedron::write_data_body(FILE *fp, double *buf)
fmt::print(fp,"{} {}\n",static_cast<int> (buf[m]),static_cast<int> (buf[m+1])); fmt::print(fp,"{} {}\n",static_cast<int> (buf[m]),static_cast<int> (buf[m+1]));
for (int i = 0; i < nface; i++, m+=4) for (int i = 0; i < nface; i++, m+=4)
fmt::print(fp,"{} {} {} {}\n", fmt::print(fp,"{} {} {} {}\n",
static_cast<int> (buf[m]),static_cast<int> (buf[m+1]), static_cast<int> (buf[m]),static_cast<int> (buf[m+1]),
static_cast<int> (buf[m+2]),static_cast<int> (buf[m+3])); static_cast<int> (buf[m+2]),static_cast<int> (buf[m+3]));
} }
// rounded diameter // rounded diameter
double diameter = buf[m++]; double diameter = buf[m++];
fmt::print(fp,"{}\n",diameter); fmt::print(fp,"{}\n",diameter);